CAS
915921-56-1 Purity
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915921-56-1 Purity
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Chembrdg-bb 4011070
CAS
915921-61-8
Catalog Number
ACM915921618
Category
Other Products
Molecular Weight
216.275640 [g/mol]
Molecular Formula
C14H16O2
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Specification
Synonyms
CHEMBRDG-BB 4011070;1-PHENYLSPIRO[2.4]HEPTANE-1-CARBOXYLIC ACID
IUPAC Name
2-phenylspiro[2.4]heptane-2-carboxylic acid
InChI Key
IPJKMOYQWMAWPO-UHFFFAOYSA-N
Boiling Point
379.8ºC at 760 mmHg
Flash Point
175.1ºC
Density
1.2g/cm³
Exact Mass
216.11500
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of Chembrdg-bb 4011070?
The molecular formula is C14H16O2.
What is the molecular weight of Chembrdg-bb 4011070?
The molecular weight is 216.27 g/mol.
What is the IUPAC name of Chembrdg-bb 4011070?
The IUPAC name is 2-phenylspiro[2.4]heptane-2-carboxylic acid.
What is the InChI of Chembrdg-bb 4011070?
The InChI is InChI=1S/C14H16O2/c15-12(16)14(11-6-2-1-3-7-11)10-13(14)8-4-5-9-13/h1-3,6-7H,4-5,8-10H2,(H,15,16).
What is the InChIKey of Chembrdg-bb 4011070?
The InChIKey is IPJKMOYQWMAWPO-UHFFFAOYSA-N.
What is the canonical SMILES of Chembrdg-bb 4011070?
The canonical SMILES is C1CCC2(C1)CC2(C3=CC=CC=C3)C(=O)O.
What is the CAS number of Chembrdg-bb 4011070?
The CAS number is 915921-61-8.
What is the XLogP3-AA value of Chembrdg-bb 4011070?
The XLogP3-AA value is 3.4.
How many hydrogen bond donor counts does Chembrdg-bb 4011070 have?
Chembrdg-bb 4011070 has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Chembrdg-bb 4011070 have?
Chembrdg-bb 4011070 has 2 hydrogen bond acceptor counts.
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