CAS
952402-53-8 Purity
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952402-53-8 Purity
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Benzoic acid 2-isopropoxyethyl ester
CAS
95241-36-4
Catalog Number
ACM95241364
Category
Other Products
Molecular Weight
208.25
Molecular Formula
C12H16O3
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Specification
Synonyms
2-Isopropoxyethyl benzoate, 2-propan-2-yloxyethyl benzoate, 95241-36-4, Benzoic Acid 2-Isopropoxyethyl Ester, AC1LC6LZ, ACMC-209ry7, SureCN2695470, AC1Q688B, CTK5H7587, QLSUGJQAAUGJHE-UHFFFAOYSA-, ANW-40493, AR-1E2910, AG-J-28607, B0972, Ethylene Glycol Monoisopropyl Ether Benzoate, InChI=1/C12H16O3/c1-10(2)14-8-9-15-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
IUPAC Name
2-propan-2-yloxyethyl benzoate
InChI Key
QLSUGJQAAUGJHE-UHFFFAOYSA-N
Boiling Point
257.3ºC at 760 mmHg
Flash Point
101.7ºC
Density
1.04
Exact Mass
208.11000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Benzoic acid 2-isopropoxyethyl ester?
The molecular formula is C12H16O3.
What is the molecular weight of Benzoic acid 2-isopropoxyethyl ester?
The molecular weight is 208.25 g/mol.
What is the IUPAC name of Benzoic acid 2-isopropoxyethyl ester?
The IUPAC name is 2-propan-2-yloxyethyl benzoate.
What is the InChI of Benzoic acid 2-isopropoxyethyl ester?
The InChI is InChI=1S/C12H16O3/c1-10(2)14-8-9-15-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What is the InChIKey of Benzoic acid 2-isopropoxyethyl ester?
The InChIKey is QLSUGJQAAUGJHE-UHFFFAOYSA-N.
What is the canonical SMILES of Benzoic acid 2-isopropoxyethyl ester?
The canonical SMILES is CC(C)OCCOC(=O)C1=CC=CC=C1.
What is the CAS number of Benzoic acid 2-isopropoxyethyl ester?
The CAS number is 95241-36-4.
How many hydrogen bond donor counts does Benzoic acid 2-isopropoxyethyl ester have?
Benzoic acid 2-isopropoxyethyl ester has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Benzoic acid 2-isopropoxyethyl ester have?
Benzoic acid 2-isopropoxyethyl ester has 3 hydrogen bond acceptor counts.
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