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Structure

Propan-2-yl 4-methyl-3-nitrobenzoate

CAS
22913-12-8
Catalog Number
ACM22913128
Category
Other Products
Molecular Weight
223.225 g/mol
Molecular Formula
C11H13NO4

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Specification

Synonyms
Isopropyl 3-nitro-p-toluate, EINECS 245-320-3, CID89900, 22913-12-8
IUPAC Name
propan-2-yl 4-methyl-3-nitrobenzoate
Canonical SMILES
CC1=C(C=C(C=C1)C(=O)OC(C)C)[N+](=O)[O-]
InChI Key
RRJBUFUVPLLLJD-UHFFFAOYSA-N
Boiling Point
320.3ºC at 760mmHg
Flash Point
134.3ºC
Density
1.182g/cm³
EC Number
245-320-3
Exact Mass
223.08400
H-Bond Acceptor
4
H-Bond Donor
0
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