Methyl 2-formylbenzoate

CAT: 0024-sc-263526Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-263526Size:1 g

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CAS Number

4122-56-9

Chemical Information

Methyl 2-formylbenzoate

Methyl 2-formylbenzoate has been reported in Streptomyces xiamenensis with data available.

CAS Number	4122-56-9
PubChem CID	243003
IUPAC Name	methyl 2-formylbenzoate
Molecular Formula	C9H8O3
Molecular Weight	164.16
XLogP	1.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	177

SMILES

COC(=O)C1=CC=CC=C1C=O

InChI

InChI=1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3

InChIKey

YRMODRRGEUGHTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4122-56-9

CID: 243003

Formula: C9H8O3

MW: 164.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.16
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	164.047344113
Monoisotopic Mass	164.047344113
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-235772	Methyl 4-formylbenzoate
sc-506783	Methyl 5-bromo-2-formylbenzoate
sc-235724	Methyl 3-formylbenzoate
sc-286267	Methyl 4-formylbenzoate dimethyl acetal
sc-286267A	Methyl 4-formylbenzoate dimethyl acetal
sc-207337	Benzyl 2-Benzyloxy-5-formylbenzoate
sc-269081	Ethyl 3-formylbenzoate
sc-212281A	N-Succinimidyl-p-Formylbenzoate
sc-497056	DBCO-PEG4-4-Formylbenzoate
sc-212281B	N-Succinimidyl-p-Formylbenzoate

Catalog	Name
OR30239-01	Methyl 2-formylbenzoate
HY-78000-01	Methyl 4-formylbenzoate
RG-P022656-01	Methyl 3-Formylbenzoate
DKA12049-01	Methyl 2-amino-3-formylbenzoate
JHD97159-01	Methyl 2-cyano-3-formylbenzoate
OR400747-01	Methyl 5-bromo-2-formylbenzoate
OR75712-01	Methyl 4-chloro-2-formylbenzoate
PC501624	Methyl 2-fluoro-3-formylbenzoate
PC501662-01	Methyl 3-fluoro-2-formylbenzoate
KAC79542-01	Methyl 4-bromo-2-formylbenzoate