CAS
975-18-8 Purity
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975-18-8 Purity
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3,4-Oxazolidinedicarboxylicacid,3-(phenylmethyl)ester,(4R)-
CAS
97534-84-4
Catalog Number
ACM97534844
Category
Other Products
Molecular Weight
251.24
Molecular Formula
C12H13NO5
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Specification
Synonyms
(R)-(+)-3-(Benzyloxycarbonyl)-4-oxazolidinecarboxylic acid, AC1LELUO, AC1Q71DW, AC1Q71DX, SureCN3148090, 469475_ALDRICH, 97534-84-4, I04-8480, (4R)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid, (R)-()-3-(Benzyl-Oxycarbonyl)-4-Oxazolidinecarboxylic Acid, (R)-(+)-3-(Benzyl-Oxycarbonyl)-4-Oxazolidinecarboxylic Acid
IUPAC Name
(4R)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
Canonical SMILES
C1C(N(CO1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI Key
XRRRGBIMHQARMF-SNVBAGLBSA-N
Boiling Point
454.8ºC at 760 mmHg
Melting Point
70-74ºC
Flash Point
228.9ºC
Density
1.385g/cm³
Exact Mass
251.07900
H-Bond Acceptor
5
H-Bond Donor
1
What is the PubChem CID of 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
The PubChem CID is 688329.
What is the molecular formula of 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
The molecular formula is C12H13NO5.
What is the molecular weight of 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
The molecular weight is 251.23 g/mol.
What is the IUPAC name of 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
The IUPAC name is (4R)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid.
What is the InChI of 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
The InChI is InChI=1S/C12H13NO5/c14-11(15)10-7-17-8-13(10)12(16)18-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)/t10-/m1/s1.
What is the InChIKey of 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
The InChIKey is XRRRGBIMHQARMF-SNVBAGLBSA-N.
What is the canonical SMILES of 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
The canonical SMILES is C1C(N(CO1)C(=O)OCC2=CC=CC=C2)C(=O)O.
How many hydrogen bond donor counts are there in 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
There are 5 hydrogen bond acceptor counts.
What is the topological polar surface area of 3,4-Oxazolidinedicarboxylic acid, 3-(phenylmethyl)ester, (4R)-?
The topological polar surface area is 76.1 ?^2.
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